N-[4-[[6-(4-ethylpiperazin-1-yl)-1,7-naphthyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

C32H29FN6O3 — CID 156871849

IUPACN-[4-[[6-(4-ethylpiperazin-1-yl)-1,7-naphthyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCCN1CCN(c2cc3c(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)ccnc3cn2)CC1
InChIInChI=1S/C32H29FN6O3/c1-2-37-16-18-38(19-17-37)30-20-27-28(21-35-30)34-14-13-29(27)42-25-11-7-23(8-12-25)36-31(40)26-4-3-15-39(32(26)41)24-9-5-22(33)6-10-24/h3-15,20-21H,2,16-19H2,1H3,(H,36,40)
InChIKeyMMRLIGGAYZVDBS-UHFFFAOYSA-N
MW564.62 g/mol
LogP5.11
Rot. Bonds7

About N-[4-[[6-(4-ethylpiperazin-1-yl)-1,7-naphthyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

N-[4-[[6-(4-ethylpiperazin-1-yl)-1,7-naphthyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 156871849) has the molecular formula C32H29FN6O3 and a molecular weight of 564.62 g/mol. Its IUPAC name is N-[4-[[6-(4-ethylpiperazin-1-yl)-1,7-naphthyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[6-(4-ethylpiperazin-1-yl)-1,7-naphthyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
PubChem CID156871849
Molecular FormulaC32H29FN6O3
Molecular Weight564.62 g/mol
Exact Mass564.23
IUPAC NameN-[4-[[6-(4-ethylpiperazin-1-yl)-1,7-naphthyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCCN1CCN(c2cc3c(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)ccnc3cn2)CC1
InChIInChI=1S/C32H29FN6O3/c1-2-37-16-18-38(19-17-37)30-20-27-28(21-35-30)34-14-13-29(27)42-25-11-7-23(8-12-25)36-31(40)26-4-3-15-39(32(26)41)24-9-5-22(33)6-10-24/h3-15,20-21H,2,16-19H2,1H3,(H,36,40)
InChIKeyMMRLIGGAYZVDBS-UHFFFAOYSA-N
XLogP5.11
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.62
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-fluorophenyl)-N-[4-[[6-(4-methylpiperazin-1-yl)-1,7-naphthyridin-4-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide
CID 156871742
N-[3-methyl-4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide
CID 156871762
1-ethyl-3-(4-fluorophenyl)-2,4-dioxo-N-[4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)oxy]phenyl]pyrimidine-5-carboxamide;vanadium
CID 156871697
1-(4-fluorophenyl)-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-1,7-naphthyridin-4-yl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide
CID 156871776
2-oxo-1-phenyl-N-[4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)amino]phenyl]pyridine-3-carboxamide
CID 156871709
N-[5-[(6-chloro-1,7-naphthyridin-4-yl)oxy]-4-methyl-2-pyridinyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 156871804
1-(4-fluorophenyl)-2-oxo-N-[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide
CID 71678236
1-ethyl-N-[4-[[6-[2-[1-(4-iodophenyl)-2-oxo-3-pyridinyl]-2-oxoethanimidoyl]-3-pyridinyl]oxy]-1,7-naphthyridin-6-yl]piperidine-4-carboximidamide
CID 156871814
4-[4-[[3-(4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-2,4-dioxopyrimidine-5-carbonyl]amino]phenoxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide
CID 156871685
N-[4-(5,6-dimethoxyquinolin-4-yl)oxyphenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 90452722
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(4-fluorophenyl)-1-(2-hydroxyethyl)-2,4-dioxopyrimidine-5-carboxamide
CID 90452624
N-[4-[[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 174313605

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(4-ethylpiperazin-1-yl)-1,7-naphthyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-[[6-(4-ethylpiperazin-1-yl)-1,7-naphthyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 156871849) is N-[4-[[6-(4-ethylpiperazin-1-yl)-1,7-naphthyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[6-(4-ethylpiperazin-1-yl)-1,7-naphthyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-[[6-(4-ethylpiperazin-1-yl)-1,7-naphthyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is CCN1CCN(c2cc3c(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)ccnc3cn2)CC1.
What is the InChIKey of N-[4-[[6-(4-ethylpiperazin-1-yl)-1,7-naphthyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is MMRLIGGAYZVDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN6O3/c1-2-37-16-18-38(19-17-37)30-20-27-28(21-35-30)34-14-13-29(27)42-25-11-7-23(8-12-25)36-31(40)26-4-3-15-39(32(26)41)24-9-5-22(33)6-10-24/h3-15,20-21H,2,16-19H2,1H3,(H,36,40).
What are the key properties of N-[4-[[6-(4-ethylpiperazin-1-yl)-1,7-naphthyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
N-[4-[[6-(4-ethylpiperazin-1-yl)-1,7-naphthyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 564.62 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(4-ethylpiperazin-1-yl)-1,7-naphthyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 156871849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).